4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine

C21H20N6O — CID 139981850

IUPAC4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3cccc(OCc4cnccn4)c3)c2c1
InChIInChI=1S/C21H20N6O/c22-16-4-5-20-19(11-16)21(27-14-26-20)25-7-6-15-2-1-3-18(10-15)28-13-17-12-23-8-9-24-17/h1-5,8-12,14H,6-7,13,22H2,(H,25,26,27)
InChIKeyCOSOLASWNCGNDK-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.24
Rot. Bonds7

About 4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine

4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine (PubChem CID 139981850) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
PubChem CID139981850
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(NCCc3cccc(OCc4cnccn4)c3)c2c1
InChIInChI=1S/C21H20N6O/c22-16-4-5-20-19(11-16)21(27-14-26-20)25-7-6-15-2-1-3-18(10-15)28-13-17-12-23-8-9-24-17/h1-5,8-12,14H,6-7,13,22H2,(H,25,26,27)
InChIKeyCOSOLASWNCGNDK-UHFFFAOYSA-N
XLogP3.24
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-[3-(2-fluoroethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981903
4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981922
4-N-[2-[3-[(5-methylthiophen-2-yl)methoxy]phenyl]ethyl]quinazoline-4,6-diamine
CID 139981796
4-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981974
4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981896
4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981946
4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981855
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
4-N-[2-(4-pyridin-4-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981848
4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine
CID 139981788
4-N-[2-(4-but-3-enoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981937

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine (CID 139981850) is 4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine is Nc1ccc2ncnc(NCCc3cccc(OCc4cnccn4)c3)c2c1.
What is the InChIKey of 4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine?
The InChIKey is COSOLASWNCGNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c22-16-4-5-20-19(11-16)21(27-14-26-20)25-7-6-15-2-1-3-18(10-15)28-13-17-12-23-8-9-24-17/h1-5,8-12,14H,6-7,13,22H2,(H,25,26,27).
What are the key properties of 4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine?
4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine has a molecular weight of 372.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 139981850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).